==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-SEP-05 2B4T . COMPND 2 MOLECULE: GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR M.A.ROBIEN,J.BOSCH,W.G.J.HOL,STRUCTURAL GENOMICS OF PATHOGEN . 1332 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47718.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 923 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 164 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 164 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 103 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 144 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 275 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 8 1 0 0 3 4 0 2 3 3 0 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 8 12 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 4 5 9 0 1 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 4 O T 0 0 42 0, 0.0 25,-2.6 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 115.4 37.7 29.6 10.8 2 5 O K E -a 26 0A 60 86,-0.2 88,-2.4 23,-0.2 89,-1.6 -0.778 360.0-162.8 -96.3 114.5 35.2 31.1 13.2 3 6 O L E -ab 27 91A 0 23,-3.6 25,-2.6 -2,-0.7 26,-1.3 -0.720 9.7-163.4-102.8 144.3 31.8 29.2 13.4 4 7 O G E -ab 29 92A 0 87,-2.4 89,-4.0 -2,-0.3 2,-0.5 -0.965 9.9-150.0-121.5 143.0 28.4 30.2 14.7 5 8 O I E -ab 30 93A 0 24,-2.3 26,-3.0 -2,-0.4 2,-0.6 -0.956 9.4-171.6-120.1 118.7 25.7 27.8 15.6 6 9 O N E S+ab 31 94A 4 87,-2.2 89,-3.0 -2,-0.5 26,-0.2 -0.948 76.3 27.2-106.7 114.0 22.0 28.7 15.3 7 10 O G S S- 0 0 7 24,-3.0 2,-1.5 -2,-0.6 5,-0.3 0.747 71.5-149.5 94.2 92.2 19.9 25.9 16.8 8 11 O F + 0 0 0 23,-0.2 -1,-0.1 4,-0.2 88,-0.1 -0.507 54.6 122.1 -94.8 64.6 21.9 24.1 19.5 9 12 O G S > S- 0 0 25 -2,-1.5 4,-2.8 86,-0.3 5,-0.4 0.104 83.4 -50.9-103.3-147.5 20.3 20.7 18.9 10 13 O R H > S+ 0 0 25 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.924 143.3 34.6 -58.7 -45.4 21.5 17.2 18.0 11 14 O I H > S+ 0 0 36 84,-0.2 4,-2.9 2,-0.2 5,-0.2 0.931 118.5 51.9 -76.1 -47.4 23.4 18.6 15.1 12 15 O G H > S+ 0 0 0 83,-0.3 4,-2.1 -5,-0.3 -2,-0.2 0.923 113.3 43.1 -54.6 -50.6 24.4 22.0 16.8 13 16 O R H X S+ 0 0 5 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.850 117.6 45.5 -68.7 -35.1 25.8 20.3 19.9 14 17 O L H X S+ 0 0 1 -4,-1.2 4,-2.7 -5,-0.4 -2,-0.2 0.790 110.0 54.2 -79.5 -28.4 27.6 17.6 17.9 15 18 O V H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.904 109.5 49.5 -62.3 -43.0 28.9 20.2 15.4 16 19 O F H X S+ 0 0 9 -4,-2.1 4,-0.8 -5,-0.2 -2,-0.2 0.855 111.9 49.4 -61.6 -36.9 30.3 22.0 18.5 17 20 O R H >X S+ 0 0 25 -4,-1.3 4,-0.9 2,-0.2 3,-0.7 0.937 110.4 47.1 -71.3 -50.1 31.8 18.8 19.7 18 21 O A H >< S+ 0 0 7 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.918 110.8 53.6 -57.1 -44.6 33.5 17.9 16.4 19 22 O A H >< S+ 0 0 5 -4,-2.2 3,-1.0 1,-0.3 6,-0.3 0.710 98.6 64.3 -65.0 -23.1 34.9 21.4 16.1 20 23 O F H << S+ 0 0 91 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.812 101.9 50.3 -68.1 -30.7 36.4 21.1 19.6 21 24 O G T << S+ 0 0 59 -3,-1.1 2,-0.4 -4,-0.9 -1,-0.2 0.113 101.4 77.3 -94.5 19.7 38.7 18.3 18.2 22 25 O R < - 0 0 54 -3,-1.0 3,-0.2 3,-0.3 0, 0.0 -0.987 58.0-161.6-128.8 139.7 39.9 20.4 15.2 23 26 O K S S+ 0 0 196 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.0 0.720 88.8 63.3 -86.4 -26.1 42.5 23.2 15.2 24 27 O D S S+ 0 0 74 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.464 108.8 35.4 -82.6 -3.7 41.3 24.7 11.9 25 28 O I - 0 0 2 -6,-0.3 2,-0.3 -3,-0.2 -3,-0.3 -0.992 62.2-179.9-151.8 141.2 37.9 25.6 13.0 26 29 O E E -a 2 0A 68 -25,-2.6 -23,-3.6 -2,-0.3 2,-0.5 -0.998 28.3-122.7-142.2 146.3 36.3 26.9 16.3 27 30 O V E +a 3 0A 11 -2,-0.3 -23,-0.2 -25,-0.2 3,-0.1 -0.776 31.7 166.4 -84.6 127.5 32.9 27.8 17.5 28 31 O V E + 0 0 24 -25,-2.6 44,-3.3 -2,-0.5 2,-0.3 0.645 62.9 31.3-109.1 -25.9 32.8 31.4 18.8 29 32 O A E -ac 4 72A 0 -26,-1.3 -24,-2.3 42,-0.2 2,-0.4 -0.997 56.8-170.8-144.7 141.2 29.0 32.0 19.1 30 33 O I E -ac 5 73A 0 42,-3.2 44,-2.6 -2,-0.3 2,-0.4 -0.985 3.3-167.7-131.2 137.9 25.8 30.0 19.8 31 34 O N E +ac 6 74A 1 -26,-3.0 -24,-3.0 -2,-0.4 44,-0.2 -0.990 22.9 142.8-129.6 127.7 22.1 30.9 19.5 32 35 O D > - 0 0 16 42,-1.8 3,-0.8 -2,-0.4 45,-0.1 -0.728 23.6-168.5-158.9 109.3 19.1 29.0 20.9 33 36 O P T 3 S+ 0 0 46 0, 0.0 44,-0.1 0, 0.0 42,-0.1 0.530 85.6 63.3 -79.7 -5.5 16.1 30.9 22.3 34 37 O F T 3 S+ 0 0 131 42,-0.1 2,-0.3 1,-0.1 1161,-0.1 -0.024 99.7 63.9-102.3 30.6 14.5 27.7 23.8 35 38 O M < - 0 0 12 -3,-0.8 -3,-0.2 1159,-0.1 2,-0.1 -0.937 67.8-149.2-162.9 113.9 17.5 27.3 26.2 36 39 O D > - 0 0 122 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.432 40.5 -99.5 -84.0 169.6 18.9 29.4 29.0 37 40 O L H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.887 122.3 49.2 -64.0 -43.4 22.6 29.3 29.8 38 41 O N H > S+ 0 0 95 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.905 114.9 46.9 -57.4 -42.9 22.5 26.8 32.7 39 42 O H H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.901 109.1 54.4 -65.4 -44.2 20.3 24.5 30.5 40 43 O L H X S+ 0 0 1 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.935 109.5 47.0 -55.7 -51.7 22.6 24.9 27.5 41 44 O C H X S+ 0 0 5 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.897 110.8 51.9 -56.3 -46.8 25.6 23.8 29.6 42 45 O Y H X S+ 0 0 7 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.936 111.3 46.8 -58.0 -48.7 23.8 20.8 31.0 43 46 O L H < S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.789 115.8 45.3 -65.9 -30.7 22.7 19.6 27.6 44 47 O L H < S+ 0 0 5 -4,-1.9 9,-0.3 -5,-0.2 -2,-0.2 0.907 110.4 55.0 -74.8 -42.2 26.3 20.0 26.2 45 48 O K H < S+ 0 0 41 -4,-3.1 8,-2.8 -5,-0.2 2,-0.3 0.892 113.7 36.5 -58.4 -48.0 27.8 18.3 29.3 46 49 O Y < - 0 0 16 -4,-2.0 2,-0.3 6,-0.2 6,-0.2 -0.801 63.7-178.8-111.6 147.7 25.8 15.1 29.1 47 50 O D > - 0 0 3 -2,-0.3 4,-1.2 905,-0.1 -3,-0.0 -0.943 23.1-147.6-151.3 127.1 24.7 13.2 26.0 48 51 O S T 4 S+ 0 0 4 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.729 98.0 28.7 -67.5 -25.7 22.6 10.0 25.8 49 52 O V T 4 S+ 0 0 37 2,-0.2 -1,-0.2 189,-0.1 190,-0.1 0.848 128.3 32.9-100.9 -47.4 24.2 8.7 22.6 50 53 O H T 4 S- 0 0 19 1,-0.3 -2,-0.2 -4,-0.0 -1,-0.0 0.289 102.2-123.6-103.8 8.1 27.8 10.0 22.5 51 54 O G < - 0 0 29 -4,-1.2 -1,-0.3 901,-0.1 -2,-0.2 -0.118 52.6 -23.2 81.7-178.6 28.7 10.2 26.2 52 55 O Q S S- 0 0 95 -6,-0.2 -6,-0.2 901,-0.1 -7,-0.1 -0.364 77.6 -93.1 -69.6 145.8 29.9 13.1 28.4 53 56 O F - 0 0 9 -8,-2.8 2,-2.6 -9,-0.3 -1,-0.1 -0.379 39.1-119.8 -58.1 133.0 31.5 16.0 26.7 54 57 O P S S+ 0 0 84 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.349 86.0 51.4 -79.5 64.9 35.3 15.3 26.9 55 58 O C S S- 0 0 47 -2,-2.6 2,-0.4 -10,-0.1 -2,-0.1 -0.953 95.5 -81.0 175.0 153.5 36.0 18.4 28.9 56 59 O E - 0 0 150 -2,-0.3 11,-0.9 2,-0.0 2,-0.5 -0.709 47.9-163.3 -74.5 126.2 35.2 20.5 31.9 57 60 O V E +D 66 0A 7 -2,-0.4 2,-0.2 9,-0.1 9,-0.2 -0.971 25.1 134.9-123.0 118.2 32.0 22.5 30.9 58 61 O T E -D 65 0A 63 7,-1.7 7,-2.7 -2,-0.5 2,-0.3 -0.779 34.5-134.8-143.0-176.9 31.0 25.6 32.9 59 62 O H E +D 64 0A 66 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.994 17.3 171.6-149.5 152.9 29.8 29.2 32.5 60 63 O A E > +D 63 0A 49 3,-1.8 3,-1.8 -2,-0.3 -2,-0.0 -0.959 68.1 6.9-159.0 140.4 30.5 32.7 33.9 61 64 O D T 3 S- 0 0 127 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.775 129.5 -57.0 58.8 29.6 29.4 36.3 33.0 62 65 O G T 3 S+ 0 0 46 1,-0.3 11,-0.6 10,-0.1 2,-0.4 0.514 113.4 118.7 79.7 6.0 27.0 35.0 30.3 63 66 O F E < -DE 60 72A 74 -3,-1.8 -3,-1.8 9,-0.1 2,-0.4 -0.825 64.9-127.6-104.9 143.0 29.8 33.1 28.5 64 67 O L E -DE 59 71A 0 7,-2.5 7,-2.8 -2,-0.4 2,-0.6 -0.738 26.6-150.0 -80.4 134.9 30.1 29.4 27.9 65 68 O L E +DE 58 70A 34 -7,-2.7 -7,-1.7 -2,-0.4 2,-0.7 -0.918 22.5 174.0-117.5 107.8 33.5 28.2 29.1 66 69 O I E S-D 57 0A 9 3,-2.0 -9,-0.1 -2,-0.6 2,-0.1 -0.869 71.1 -60.6-108.9 95.1 35.2 25.2 27.4 67 70 O G S S- 0 0 35 -11,-0.9 2,-0.7 -2,-0.7 -9,-0.1 -0.464 119.4 -12.5 64.4-135.0 38.6 25.1 29.1 68 71 O E S S+ 0 0 172 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.272 119.8 93.0 -90.7 47.7 40.6 28.3 28.5 69 72 O K - 0 0 113 -2,-0.7 -3,-2.0 -3,-0.1 2,-0.4 -0.989 62.1-145.1-147.5 130.3 38.1 29.5 25.8 70 73 O K E - E 0 65A 129 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.818 11.1-162.0-102.4 132.2 35.0 31.7 25.9 71 74 O V E - E 0 64A 3 -7,-2.8 -7,-2.5 -2,-0.4 2,-0.3 -0.941 19.9-124.0-117.7 134.8 32.0 31.1 23.7 72 75 O S E -cE 29 63A 19 -44,-3.3 -42,-3.2 -2,-0.4 2,-0.4 -0.564 26.1-158.5 -82.2 132.6 29.3 33.8 23.0 73 76 O V E +c 30 0A 31 -11,-0.6 2,-0.3 -2,-0.3 -42,-0.2 -0.941 13.2 174.8-121.6 131.8 25.7 32.7 23.9 74 77 O F E -c 31 0A 45 -44,-2.6 -42,-1.8 -2,-0.4 8,-0.1 -0.830 22.5-160.7-131.5 168.0 22.5 34.3 22.5 75 78 O A + 0 0 59 -2,-0.3 2,-0.4 -44,-0.2 -44,-0.1 -0.319 36.2 139.9-150.8 56.6 18.8 33.6 22.7 76 79 O E - 0 0 75 1,-0.1 -42,-0.1 3,-0.1 -2,-0.1 -0.857 37.3-159.7-101.1 139.2 17.0 35.4 19.8 77 80 O K S S+ 0 0 146 -2,-0.4 -1,-0.1 -44,-0.1 3,-0.0 0.820 85.5 65.7 -81.9 -36.4 14.1 33.7 18.0 78 81 O D S > S- 0 0 78 1,-0.1 3,-1.6 29,-0.0 4,-0.2 -0.810 77.3-151.6 -86.8 118.5 14.6 36.0 15.0 79 82 O P G > S+ 0 0 4 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.786 90.2 71.0 -62.4 -28.9 18.0 35.2 13.4 80 83 O S G 3 S+ 0 0 45 1,-0.3 -2,-0.0 3,-0.1 -3,-0.0 0.729 93.0 57.6 -55.6 -26.4 18.3 38.8 12.2 81 84 O Q G < S+ 0 0 123 -3,-1.6 -1,-0.3 2,-0.1 27,-0.1 0.434 78.7 105.5 -92.0 -0.9 18.8 40.0 15.8 82 85 O I S < S- 0 0 1 -3,-1.7 2,-2.5 -4,-0.2 3,-0.3 -0.714 71.1-135.0 -84.9 122.1 21.9 37.9 16.5 83 86 O P > + 0 0 42 0, 0.0 4,-1.0 0, 0.0 3,-0.4 -0.320 47.4 150.0 -77.6 63.1 25.1 39.9 16.5 84 87 O W T >4> + 0 0 0 -2,-2.5 5,-1.2 27,-0.3 3,-0.7 0.886 66.8 62.5 -57.6 -42.0 27.2 37.5 14.5 85 88 O G G >45S+ 0 0 34 26,-2.6 3,-1.2 -3,-0.3 -1,-0.2 0.866 98.6 53.1 -52.8 -44.5 29.2 40.4 13.1 86 89 O K G 345S+ 0 0 198 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.793 109.5 48.8 -66.9 -29.0 30.6 41.4 16.5 87 90 O C G <<5S- 0 0 27 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.472 112.1-126.1 -83.6 -4.6 31.8 37.8 17.1 88 91 O Q T < 5 - 0 0 139 -3,-1.2 2,-0.4 -4,-0.5 -3,-0.2 0.940 37.5-171.6 57.6 55.5 33.4 37.9 13.6 89 92 O V < - 0 0 2 -5,-1.2 25,-1.5 1,-0.2 -1,-0.2 -0.645 21.2-172.4 -84.0 128.0 31.7 34.8 12.4 90 93 O D S S+ 0 0 28 -88,-2.4 25,-1.3 -2,-0.4 2,-0.4 0.878 75.5 16.8 -84.0 -44.1 32.8 33.4 9.0 91 94 O V E -bf 3 115A 0 -89,-1.6 -87,-2.4 23,-0.2 2,-0.5 -0.996 65.1-149.8-133.7 138.6 30.1 30.7 8.7 92 95 O V E -bf 4 116A 0 23,-2.2 25,-2.8 -2,-0.4 2,-1.1 -0.926 13.7-142.2-105.5 127.9 26.8 30.1 10.5 93 96 O C E -bf 5 117A 0 -89,-4.0 -87,-2.2 -2,-0.5 2,-1.4 -0.756 14.4-156.3 -86.0 94.7 25.6 26.6 11.0 94 97 O E E +bf 6 118A 1 23,-2.2 25,-2.2 -2,-1.1 3,-0.2 -0.613 34.3 150.3 -77.7 94.6 21.8 27.0 10.5 95 98 O S + 0 0 15 -89,-3.0 -83,-0.3 -2,-1.4 -86,-0.3 -0.124 35.2 97.8-124.8 35.5 20.7 23.9 12.4 96 99 O T S S- 0 0 49 -90,-0.1 -1,-0.1 -88,-0.1 -89,-0.1 0.678 80.7-132.1 -90.6 -24.3 17.2 24.9 13.7 97 100 O G S S+ 0 0 41 -3,-0.2 3,-0.2 2,-0.1 -2,-0.1 0.421 89.7 80.8 80.5 0.9 15.2 23.2 11.0 98 101 O V S S+ 0 0 93 1,-0.1 -3,-0.0 6,-0.0 3,-0.0 0.237 76.8 61.9-126.0 15.8 13.1 26.3 10.4 99 102 O F + 0 0 29 -5,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.409 59.6 138.4-133.3 57.5 15.2 28.6 8.2 100 103 O L + 0 0 16 -3,-0.2 23,-3.2 4,-0.1 24,-0.5 -0.164 47.1 76.4-105.3 38.0 15.6 26.4 5.1 101 104 O T S > S- 0 0 35 21,-0.2 4,-2.9 22,-0.2 5,-0.2 -0.975 83.5-115.2-141.9 157.5 15.1 28.9 2.3 102 105 O K H > S+ 0 0 75 -2,-0.3 4,-0.7 1,-0.2 -1,-0.1 0.803 115.3 50.7 -63.3 -31.3 17.4 31.6 0.8 103 106 O E H 4 S+ 0 0 159 2,-0.2 3,-0.5 1,-0.1 4,-0.3 0.958 116.3 38.9 -70.1 -51.9 15.0 34.4 2.0 104 107 O L H >4 S+ 0 0 82 1,-0.2 3,-1.0 2,-0.1 4,-0.2 0.892 116.4 50.8 -64.4 -42.8 14.8 33.2 5.6 105 108 O A H >< S+ 0 0 0 -4,-2.9 3,-0.9 1,-0.2 4,-0.4 0.616 93.4 74.7 -75.6 -13.1 18.4 32.2 5.9 106 109 O S T 3X S+ 0 0 26 -4,-0.7 4,-1.5 -3,-0.5 3,-0.5 0.625 75.6 78.1 -76.6 -12.8 19.8 35.5 4.6 107 110 O S H <> S+ 0 0 14 -3,-1.0 4,-1.3 -4,-0.3 -1,-0.2 0.773 84.8 63.3 -67.7 -26.0 19.0 37.3 7.9 108 111 O H H <4>S+ 0 0 0 -3,-0.9 5,-2.0 2,-0.2 -1,-0.2 0.889 102.7 49.6 -58.7 -40.7 22.1 35.7 9.3 109 112 O L H >45S+ 0 0 45 -3,-0.5 3,-1.7 -4,-0.4 -2,-0.2 0.894 107.0 53.6 -64.9 -40.1 24.0 37.7 6.7 110 113 O K H 3<5S+ 0 0 140 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.741 104.3 57.5 -66.7 -23.6 22.1 40.8 7.8 111 114 O G T 3<5S- 0 0 14 -4,-1.3 -26,-2.6 -5,-0.2 -27,-0.3 0.404 131.2 -95.0 -82.3 0.3 23.4 40.0 11.3 112 115 O G T < 5S+ 0 0 37 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.152 77.9 140.9 109.4 -18.5 27.0 40.1 10.1 113 116 O A < - 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